Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_CaFeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59005601 _cell_length_b 4.59005601 _cell_length_c 4.16123311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeHg2 _chemical_formula_sum 'Ca1 Fe1 Hg2' _cell_volume 87.67141497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 2.29502800 2.29502800 0.00000000 1 Hg Hg2 1 2.29502800 0.00000000 2.08061656 1 Hg Hg3 1 0.00000000 2.29502800 2.08061656 1 [/CIF]
CaFeHg2
P4/mmm
123
tetragonal
4/mmm
9,415.598929
false
[CIF] data_ScMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83599465 _cell_length_b 2.83599465 _cell_length_c 8.60665854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.55893383 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMo2Rh _chemical_formula_sum 'Sc1 Mo2 Rh1' _cell_volume 65.99693855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.67577455 0.00000000 8.49255533 1 Mo Mo1 1 0.00000000 0.00000000 6.40727067 1 Rh Rh2 1 1.67577455 0.00000000 4.33889216 1 Sc Sc3 1 0.00000000 0.00000000 2.27792819 1 [/CIF]
Mo2RhSc
Cmm2
35
orthorhombic
mm2
8,549.189115
false
[CIF] data_Ti2CrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10060069 _cell_length_b 5.10060069 _cell_length_c 5.10060069 _cell_angle_alpha 144.79267645 _cell_angle_beta 127.63635968 _cell_angle_gamma 64.67710865 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CrW _chemical_formula_sum 'Ti2 Cr1 W1' _cell_volume 59.84290657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 -0.00000000 2.25049281 2.28160434 1 Ti Ti2 1 1.54257879 0.00000000 2.02790377 1 W W3 1 -0.00000000 0.00000000 4.30950811 1 [/CIF]
CrTi2W
Immm
71
orthorhombic
mmm
9,200.507393
false
[CIF] data_AgGeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57826127 _cell_length_b 3.57826127 _cell_length_c 7.21740599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGeSb2 _chemical_formula_sum 'Ag1 Ge1 Sb2' _cell_volume 92.41133225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.60870299 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.78913064 1.78913064 1.78246175 1 Sb Sb3 1 1.78913064 1.78913064 5.43494424 1 [/CIF]
AgGeSb2
P4/mmm
123
tetragonal
4/mmm
7,619.36198
false
[CIF] data_RbH5C6N8O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23814420 _cell_length_b 7.25498296 _cell_length_c 13.11581006 _cell_angle_alpha 97.90637121 _cell_angle_beta 95.85336445 _cell_angle_gamma 94.60658612 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbH5C6N8O9 _chemical_formula_sum 'Rb2 H10 C12 N16 O18' _cell_volume 675.52364694 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 0.72505454 1.99580376 0.88470790 1 Rb Rb1 1 4.59282861 3.31798050 12.02100862 1 H H2 1 3.60874320 0.27161620 12.60375972 1 H H3 1 1.70913995 5.04216807 0.30195679 1 H H4 1 4.10968475 -0.20166294 11.20968204 1 H H5 1 1.20819840 5.51544720 1.69603447 1 H H6 1 2.52773550 4.42157867 6.25876654 1 H H7 1 2.79014765 0.89220560 6.64694997 1 H H8 1 0.21597208 4.46276938 8.19639240 1 H H9 1 5.10191107 0.85101488 4.70932411 1 H H10 1 4.71867281 4.57617555 4.84202232 1 H H11 1 0.59921034 0.73760871 8.06369420 1 C C12 1 3.14743669 5.62142604 8.61576782 1 C C13 1 2.17044646 -0.30764177 4.28994869 1 C C14 1 1.43083000 5.50722562 9.79204912 1 C C15 1 3.88705315 -0.19344136 3.11366740 1 C C16 1 1.14016511 4.90388765 8.55163992 1 C C17 1 4.17771804 0.40989661 4.35407659 1 C C18 1 1.75980207 3.34529296 4.49861054 1 C C19 1 3.55808108 1.96849130 8.40710598 1 C C20 1 3.80650781 4.09422040 4.50631905 1 C C21 1 1.51137533 1.21956387 8.39939746 1 C C22 1 3.47749153 3.43740022 3.31420744 1 C C23 1 1.84039162 1.87638405 9.59150907 1 N N24 1 3.28943235 -1.25745710 9.82475818 1 N N25 1 2.02845080 6.57124136 3.08095834 1 N N26 1 2.26052690 4.98169161 7.80184895 1 N N27 1 3.05735624 0.33209265 5.10386756 1 N N28 1 4.49565128 5.88822995 8.18348407 1 N N29 1 0.82223187 -0.57444569 4.72223244 1 N N30 1 1.13546643 -1.59128150 10.90542672 1 N N31 1 4.18241671 6.90506576 2.00028980 1 N N32 1 2.20638004 2.97021651 3.32078348 1 N N33 1 3.11150311 2.34356776 9.58493304 1 N N34 1 2.67915786 4.02412635 5.25647675 1 N N35 1 2.63872529 1.28965792 7.64923976 1 N N36 1 0.40390218 3.12121306 4.93057243 1 N N37 1 4.91398097 2.19257120 7.97514408 1 N N38 1 4.29161113 3.25879064 2.15463950 1 N N39 1 1.02627202 2.05499362 10.75107702 1 O O40 1 4.86785517 5.34994848 7.12555096 1 O O41 1 0.45002798 -0.03616422 5.78016556 1 O O42 1 5.77891856 -0.59958323 8.89198725 1 O O43 1 -0.46103541 5.91336750 4.01372927 1 O O44 1 1.49032356 -0.88243584 11.87045461 1 O O45 1 3.82755958 6.19622010 1.03526190 1 O O46 1 -0.53821206 5.03629279 10.85330468 1 O O47 1 5.85609520 0.27749148 2.05241184 1 O O48 1 -0.31986513 2.43308539 4.19778091 1 O O49 1 5.63774828 2.88069887 8.70793561 1 O O50 1 0.06649797 3.65720745 5.99700481 1 O O51 1 5.25138518 1.65657682 6.90871171 1 O O52 1 5.41465155 3.78625746 2.13420512 1 O O53 1 -0.09676840 1.52752680 10.77151140 1 O O54 1 3.81020509 2.57971013 1.21965724 1 O O55 1 1.50767806 2.73407413 11.68605927 1 O O56 1 4.38390273 0.31592954 12.00624673 1 O O57 1 0.93398042 4.99785472 0.89946979 1 [/CIF]
C12H10N16O18Rb2
P-1
2
triclinic
-1
2,058.061775
true
[CIF] data_NbCu2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00234072 _cell_length_b 9.00234072 _cell_length_c 9.00234072 _cell_angle_alpha 17.67988273 _cell_angle_beta 17.67988273 _cell_angle_gamma 17.67988273 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCu2Pd _chemical_formula_sum 'Nb1 Cu2 Pd1' _cell_volume 58.73733608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 -0.00000000 0.00000000 6.57698657 1 Cu Cu1 1 -0.00000000 0.00000000 20.00143770 1 Nb Nb2 1 -0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 13.28921214 1 [/CIF]
Cu2NbPd
R-3m
166
trigonal
-3m
9,228.039738
false
[CIF] data_Hf2TaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05657109 _cell_length_b 4.05657109 _cell_length_c 4.73126422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaMo _chemical_formula_sum 'Hf2 Ta1 Mo1' _cell_volume 77.85659112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.02828555 0.00000000 2.36563211 1 Hf Hf1 1 0.00000000 2.02828555 2.36563211 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.02828555 2.02828555 0.00000000 1 [/CIF]
Hf2MoTa
P4/mmm
123
tetragonal
4/mmm
13,519.672175
false
[CIF] data_KSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91999052 _cell_length_b 4.91999052 _cell_length_c 4.91999052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi2Ag _chemical_formula_sum 'K1 Si2 Ag1' _cell_volume 84.21274038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.21843799 5.21843799 5.21843799 1 K K1 1 3.47895866 3.47895866 3.47895866 1 Si Si2 1 1.73947933 1.73947933 1.73947933 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgKSi2
F-43m
216
cubic
-43m
4,005.543023
false
[CIF] data_TlTcO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46451160 _cell_length_b 6.46451160 _cell_length_c 6.46451160 _cell_angle_alpha 50.35077322 _cell_angle_beta 50.35077322 _cell_angle_gamma 50.35077322 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcO3 _chemical_formula_sum 'Tl2 Tc2 O6' _cell_volume 147.50791520 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 -1.12934718 -1.92021326 7.40676637 1 O O1 1 -1.09827987 1.93814998 7.40676637 1 O O2 1 2.22762706 -0.01793672 7.40676637 1 O O3 1 -2.22762706 0.01793672 9.48592463 1 O O4 1 1.09827987 -1.93814998 9.48592463 1 O O5 1 1.12934718 1.92021326 9.48592463 1 Tc Tc6 1 0.00000000 0.00000000 2.76696940 1 Tc Tc7 1 -0.00000000 0.00000000 14.12572160 1 Tl Tl8 1 0.00000000 -0.00000000 6.20825635 1 Tl Tl9 1 0.00000000 0.00000000 10.68443465 1 [/CIF]
O6Tc2Tl2
R-3
148
trigonal
-3
7,909.093232
false
[CIF] data_Nb2AgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94050826 _cell_length_b 2.94050826 _cell_length_c 9.21264874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.85418689 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AgCl _chemical_formula_sum 'Nb2 Ag1 Cl1' _cell_volume 76.99592478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.79303503 0.00000000 4.81776267 1 Cl Cl1 1 0.00000000 0.00000000 1.91314452 1 Nb Nb2 1 1.79303503 0.00000000 0.02652607 1 Nb Nb3 1 0.00000000 0.00000000 7.06153976 1 [/CIF]
AgClNb2
Cmm2
35
orthorhombic
mm2
7,098.295141
false
[CIF] data_InCo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03245157 _cell_length_b 3.03245157 _cell_length_c 6.30598192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2W _chemical_formula_sum 'In1 Co2 W1' _cell_volume 57.98831222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.51622579 1.51622579 4.54111617 1 Co Co1 1 1.51622579 1.51622579 1.76486575 1 In In2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.15299096 1 [/CIF]
Co2InW
P4/mmm
123
tetragonal
4/mmm
11,927.490132
false
[CIF] data_LaCrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36388637 _cell_length_b 6.36388637 _cell_length_c 6.36388637 _cell_angle_alpha 145.74897477 _cell_angle_beta 145.74897477 _cell_angle_gamma 49.21977046 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrBr _chemical_formula_sum 'La1 Cr1 Br1' _cell_volume 81.27174702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000000 -0.00000000 11.51644582 1 Cr Cr1 1 -0.00000000 0.00000000 3.85919728 1 La La2 1 -0.00000000 -0.00000000 7.76762945 1 [/CIF]
BrCrLa
I4mm
107
tetragonal
4mm
5,533.081851
false
[CIF] data_Mn2CrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56748575 _cell_length_b 4.04985590 _cell_length_c 4.92896667 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.78490052 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrMo _chemical_formula_sum 'Mn2 Cr1 Mo1' _cell_volume 50.34586634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.72531660 2.02492795 1.14062053 1 Mn Mn2 1 -0.08015113 2.02492795 3.70128383 1 Mo Mo3 1 0.82258274 0.00000000 2.42095218 1 [/CIF]
CrMn2Mo
P2/m
10
monoclinic
2/m
8,503.983648
false
[CIF] data_BaGa4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63841107 _cell_length_b 5.63841107 _cell_length_c 5.63841107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGa4Rh _chemical_formula_sum 'Ba1 Ga4 Rh1' _cell_volume 126.75211258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.99347935 1.99347935 1.99347935 1 Ga Ga1 1 2.97957874 2.97957874 4.99433866 1 Ga Ga2 1 2.97957874 4.99433866 2.97957874 1 Ga Ga3 1 4.99433866 2.97957874 2.97957874 1 Ga Ga4 1 4.99433866 4.99433866 4.99433866 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGa4Rh
F-43m
216
cubic
-43m
6,800.884775
false
[CIF] data_TaSiPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23320067 _cell_length_b 5.23320067 _cell_length_c 5.23320067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiPt4 _chemical_formula_sum 'Ta1 Si1 Pt4' _cell_volume 101.34146233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 4.62355439 2.77730897 4.62355439 1 Pt Pt1 1 2.77730897 4.62355439 4.62355439 1 Pt Pt2 1 2.77730897 2.77730897 2.77730897 1 Pt Pt3 1 4.62355439 4.62355439 2.77730897 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 5.55064752 5.55064752 5.55064752 1 [/CIF]
Pt4SiTa
F-43m
216
cubic
-43m
16,211.395306
false
[CIF] data_ZrTiMnNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58431399 _cell_length_b 4.58431399 _cell_length_c 4.58431399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiMnNb _chemical_formula_sum 'Zr1 Ti1 Mn1 Nb1' _cell_volume 68.12524384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 4.86239927 4.86239927 4.86239927 1 Nb Nb1 1 1.62079976 1.62079976 1.62079976 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.24159951 3.24159951 3.24159951 1 [/CIF]
MnNbTiZr
F-43m
216
cubic
-43m
6,993.993062
false
[CIF] data_VS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15617022 _cell_length_b 3.15617022 _cell_length_c 6.45040046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VS _chemical_formula_sum 'V2 S2' _cell_volume 55.64653733 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 0.00000000 0.00000000 3.22520023 1 V V2 1 -0.00000000 1.82221573 1.61260012 1 V V3 1 1.57808511 0.91110786 4.83780035 1 [/CIF]
S2V2
P6_3/mmc
194
hexagonal
6/mmm
4,953.966325
false
[CIF] data_ErVGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74196317 _cell_length_b 4.74196317 _cell_length_c 4.74196317 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErVGe2 _chemical_formula_sum 'Er1 V1 Ge2' _cell_volume 75.39794890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 3.35307431 3.35307431 3.35307431 1 Ge Ge1 1 1.67653716 1.67653716 1.67653716 1 Ge Ge2 1 5.02961147 5.02961147 5.02961147 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ErGe2V
Fm-3m
225
cubic
m-3m
8,005.172276
false
[CIF] data_ScCuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10967617 _cell_length_b 3.10967617 _cell_length_c 5.98643952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuRh _chemical_formula_sum 'Sc1 Cu1 Rh1' _cell_volume 50.13367746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 -0.00000002 1.79537238 0.05131360 1 Rh Rh1 1 1.55483807 0.89768620 2.01903658 1 Sc Sc2 1 0.00000000 0.00000000 3.91608934 1 [/CIF]
CuRhSc
P3m1
156
trigonal
3m
7,002.284368
false
[CIF] data_Tc3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98391928 _cell_length_b 4.56547194 _cell_length_c 4.73343438 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3Sb _chemical_formula_sum 'Tc3 Sb1' _cell_volume 64.48357535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 1.49195964 2.28273597 0.05588127 1 Tc Tc1 1 0.00000000 2.28273597 2.51179137 1 Tc Tc2 1 0.00000000 0.00000000 3.79363612 1 Tc Tc3 1 1.49195964 0.00000000 1.52774861 1 [/CIF]
SbTc3
Pmm2
25
orthorhombic
mm2
10,776.388562
false
[CIF] data_LaMgSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75210960 _cell_length_b 6.75210960 _cell_length_c 6.75210960 _cell_angle_alpha 148.07678710 _cell_angle_beta 148.07678710 _cell_angle_gamma 45.77202535 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgSc _chemical_formula_sum 'La1 Mg1 Sc1' _cell_volume 85.78552984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 -0.00000000 12.43773062 1 Mg Mg1 1 0.00000000 0.00000000 8.49047043 1 Sc Sc2 1 0.00000000 -0.00000000 3.95414314 1 [/CIF]
LaMgSc
I4mm
107
tetragonal
4mm
4,029.449433
false
[CIF] data_Ba2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61927158 _cell_length_b 5.61927158 _cell_length_c 5.61927158 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HgW _chemical_formula_sum 'Ba2 Hg1 W1' _cell_volume 125.46571579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.98671252 1.98671252 1.98671252 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.96013756 5.96013756 5.96013756 1 W W3 1 3.97342504 3.97342504 3.97342504 1 [/CIF]
Ba2HgW
F-43m
216
cubic
-43m
8,722.978411
false
[CIF] data_BaSi3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78756401 _cell_length_b 4.78756401 _cell_length_c 4.78756401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSi3Ru _chemical_formula_sum 'Ba1 Si3 Ru1' _cell_volume 109.73464946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 0.00000000 2.39378200 0.00000000 1 Si Si2 1 0.00000000 0.00000000 2.39378200 1 Si Si3 1 2.39378200 0.00000000 0.00000000 1 Ba Ba4 1 2.39378200 2.39378200 2.39378200 1 [/CIF]
BaRuSi3
Pm-3m
221
cubic
m-3m
4,882.493764
false
[CIF] data_YNbCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43745688 _cell_length_b 4.43745688 _cell_length_c 4.43745688 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCo _chemical_formula_sum 'Y1 Nb1 Co1' _cell_volume 61.78562433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.70663378 4.70663378 4.70663378 1 Y Y2 1 1.56887793 1.56887793 1.56887793 1 [/CIF]
CoNbY
F-43m
216
cubic
-43m
6,470.229728
false
[CIF] data_MgMnNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74699058 _cell_length_b 4.74699058 _cell_length_c 4.74699058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnNi4 _chemical_formula_sum 'Mg1 Mn1 Ni4' _cell_volume 75.63801311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.67831461 1.67831461 1.67831461 1 Ni Ni2 1 2.51783988 2.51783988 4.19541858 1 Ni Ni3 1 2.51783988 4.19541858 2.51783988 1 Ni Ni4 1 4.19541858 2.51783988 2.51783988 1 Ni Ni5 1 4.19541858 4.19541858 4.19541858 1 [/CIF]
MgMnNi4
F-43m
216
cubic
-43m
6,893.847222
false
[CIF] data_KAlSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30719536 _cell_length_b 5.30719536 _cell_length_c 5.30719536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlSb _chemical_formula_sum 'K1 Al1 Sb1' _cell_volume 105.70127508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 3.75275383 3.75275383 3.75275383 1 Sb Sb2 1 5.62913075 5.62913075 5.62913075 1 [/CIF]
AlKSb
F-43m
216
cubic
-43m
2,950.914169
false
[CIF] data_TaIr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78951114 _cell_length_b 3.99138899 _cell_length_c 5.54240736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Pd _chemical_formula_sum 'Ta1 Ir2 Pd1' _cell_volume 61.70929690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.03507828 1 Ir Ir1 1 1.39475557 1.99569449 1.36617803 1 Pd Pd2 1 0.00000000 0.00000000 2.73615327 1 Ta Ta3 1 1.39475557 1.99569449 4.17620145 1 [/CIF]
Ir2PdTa
Pmm2
25
orthorhombic
mm2
18,077.813949
false
[CIF] data_Y2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40496866 _cell_length_b 7.40496866 _cell_length_c 7.40496866 _cell_angle_alpha 152.24761431 _cell_angle_beta 152.24761431 _cell_angle_gamma 39.65181316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Br _chemical_formula_sum 'Y2 Br1' _cell_volume 87.87821831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 -0.00000000 0.00000000 4.67641751 1 Y Y2 1 -0.00000000 -0.00000000 9.25569795 1 [/CIF]
BrY2
I4/mmm
139
tetragonal
4/mmm
4,869.773149
false
[CIF] data_KTlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72634415 _cell_length_b 4.72634415 _cell_length_c 4.72634415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlB2 _chemical_formula_sum 'K1 Tl1 B2' _cell_volume 74.65536581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 5.01304500 5.01304500 5.01304500 1 B B1 1 1.67101500 1.67101500 1.67101500 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.34203000 3.34203000 3.34203000 1 [/CIF]
B2KTl
Fm-3m
225
cubic
m-3m
5,896.627519
false
[CIF] data_GaOsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09985958 _cell_length_b 3.09985958 _cell_length_c 8.31950032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOsCl2 _chemical_formula_sum 'Ga1 Os1 Cl2' _cell_volume 79.94315525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.54992979 1.54992979 5.88511835 1 Cl Cl1 1 1.54992979 1.54992979 2.43438197 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.15975016 1 [/CIF]
Cl2GaOs
P4/mmm
123
tetragonal
4/mmm
6,872.496627
false
[CIF] data_MnTcSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04712975 _cell_length_b 3.04712975 _cell_length_c 8.40054442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTcSb2 _chemical_formula_sum 'Mn1 Tc1 Sb2' _cell_volume 77.99905253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 6.00492992 1 Sb Sb1 1 1.52356487 1.52356487 7.70753311 1 Sb Sb2 1 0.00000000 0.00000000 2.71466567 1 Tc Tc3 1 1.52356487 1.52356487 4.57423227 1 [/CIF]
MnSb2Tc
P4mm
99
tetragonal
4mm
8,459.575227
false
[CIF] data_SrTa4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70063689 _cell_length_b 5.70063689 _cell_length_c 5.70063689 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa4Ag _chemical_formula_sum 'Sr1 Ta4 Ag1' _cell_volume 130.99512638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 6.04643850 6.04643850 6.04643850 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.05810352 5.05810352 3.00381448 1 Ta Ta3 1 5.05810352 3.00381448 5.05810352 1 Ta Ta4 1 3.00381448 5.05810352 5.05810352 1 Ta Ta5 1 3.00381448 3.00381448 3.00381448 1 [/CIF]
AgSrTa4
F-43m
216
cubic
-43m
11,653.104435
false
[CIF] data_YScPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85707483 _cell_length_b 3.85707483 _cell_length_c 5.78596000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScPt2 _chemical_formula_sum 'Y1 Sc1 Pt2' _cell_volume 86.07787877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 5.43441589 1 Pt Pt1 1 1.92853742 1.92853742 1.87833363 1 Sc Sc2 1 0.00000000 0.00000000 2.44388796 1 Y Y3 1 1.92853742 1.92853742 4.70826258 1 [/CIF]
Pt2ScY
P4mm
99
tetragonal
4mm
10,109.123323
false
[CIF] data_Be2VGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55863588 _cell_length_b 2.55863588 _cell_length_c 7.76854483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VGe _chemical_formula_sum 'Be2 V1 Ge1' _cell_volume 50.85769205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.27931794 1.27931794 1.71234677 1 Be Be1 1 1.27931794 1.27931794 6.05619806 1 Ge Ge2 1 0.00000000 0.00000000 3.88427241 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2GeV
P4/mmm
123
tetragonal
4/mmm
4,623.530085
false
[CIF] data_TaAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12837422 _cell_length_b 3.30745777 _cell_length_c 6.01209016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAsRu2 _chemical_formula_sum 'Ta1 As1 Ru2' _cell_volume 62.20689020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 1.56418711 1.65372888 1.51464794 1 Ru Ru2 1 1.56418711 1.65372888 4.49744222 1 Ta Ta3 1 0.00000000 0.00000000 3.00604508 1 [/CIF]
AsRu2Ta
Pmmm
47
orthorhombic
mmm
12,226.019208
false
[CIF] data_ReTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69821174 _cell_length_b 4.69821174 _cell_length_c 4.69821174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTeAs2 _chemical_formula_sum 'Re1 Te1 As2' _cell_volume 73.33018127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.66106869 1.66106869 1.66106869 1 As As1 1 -0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.98320607 4.98320607 4.98320607 1 Te Te3 1 3.32213738 3.32213738 3.32213738 1 [/CIF]
As2ReTe
F-43m
216
cubic
-43m
10,499.407243
false
[CIF] data_HgSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39099644 _cell_length_b 5.39099644 _cell_length_c 5.39099644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSbTe2 _chemical_formula_sum 'Hg1 Sb1 Te2' _cell_volume 110.78785075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 5.71801521 5.71801521 5.71801521 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.90600507 1.90600507 1.90600507 1 Te Te3 1 3.81201014 3.81201014 3.81201014 1 [/CIF]
HgSbTe2
F-43m
216
cubic
-43m
8,656.584016
false
[CIF] data_HfNiIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61801734 _cell_length_b 4.61801734 _cell_length_c 4.61801734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiIrPb _chemical_formula_sum 'Hf1 Ni1 Ir1 Pb1' _cell_volume 69.63886454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.89814707 4.89814707 4.89814707 1 Ir Ir1 1 3.26543138 3.26543138 3.26543138 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 1.63271569 1.63271569 1.63271569 1 [/CIF]
HfIrNiPb
F-43m
216
cubic
-43m
15,179.739661
false
[CIF] data_AlTcSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21063806 _cell_length_b 3.21063806 _cell_length_c 7.99126459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcSn2 _chemical_formula_sum 'Al1 Tc1 Sn2' _cell_volume 82.37552769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.60531903 1.60531903 2.33298377 1 Sn Sn2 1 1.60531903 1.60531903 5.65828082 1 Tc Tc3 1 0.00000000 0.00000000 3.99563230 1 [/CIF]
AlSn2Tc
P4/mmm
123
tetragonal
4/mmm
7,323.615521
false
[CIF] data_NaScMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73655819 _cell_length_b 4.73655819 _cell_length_c 4.73655819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScMo3 _chemical_formula_sum 'Na1 Sc1 Mo3' _cell_volume 106.26460478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 2.36827910 2.36827910 2.36827910 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 2.36827910 0.00000000 2.36827910 1 Mo Mo3 1 2.36827910 2.36827910 0.00000000 1 Mo Mo4 1 0.00000000 2.36827910 2.36827910 1 [/CIF]
Mo3NaSc
Pm-3m
221
cubic
m-3m
5,560.294003
false
[CIF] data_CaYAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11082273 _cell_length_b 5.11082273 _cell_length_c 5.11082273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYAu2 _chemical_formula_sum 'Ca1 Y1 Au2' _cell_volume 94.39683975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.42084612 5.42084612 5.42084612 1 Au Au1 1 1.80694870 1.80694871 1.80694871 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.61389741 3.61389741 3.61389741 1 [/CIF]
Au2CaY
Fm-3m
225
cubic
m-3m
9,198.656326
false
[CIF] data_Bi2TePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28091338 _cell_length_b 5.28091338 _cell_length_c 5.28091338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2TePd _chemical_formula_sum 'Bi2 Te1 Pd1' _cell_volume 104.13869562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.86708483 1.86708483 1.86708483 1 Bi Bi1 1 5.60125449 5.60125449 5.60125449 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.73416966 3.73416966 3.73416966 1 [/CIF]
Bi2PdTe
Fm-3m
225
cubic
m-3m
10,396.131646
false
[CIF] data_MnCr2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85517529 _cell_length_b 2.85517529 _cell_length_c 5.50026451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr2P _chemical_formula_sum 'Mn1 Cr2 P1' _cell_volume 44.83829894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.42758765 1.42758765 1.32357634 1 Cr Cr1 1 1.42758765 1.42758765 4.17668817 1 Mn Mn2 1 0.00000000 0.00000000 2.75013226 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2MnP
P4/mmm
123
tetragonal
4/mmm
7,032.894422
false
[CIF] data_InNiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51929292 _cell_length_b 3.51929292 _cell_length_c 7.80963333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiBr2 _chemical_formula_sum 'In1 Ni1 Br2' _cell_volume 96.72560959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.75964646 1.75964646 1.63506911 1 Br Br1 1 1.75964646 1.75964646 6.17456422 1 In In2 1 0.00000000 0.00000000 3.90481666 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2InNi
P4/mmm
123
tetragonal
4/mmm
5,722.268257
false
[CIF] data_CuAgHgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77209140 _cell_length_b 4.77209140 _cell_length_c 4.77209140 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgHgSe _chemical_formula_sum 'Cu1 Ag1 Hg1 Se1' _cell_volume 76.84422975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.68718909 1.68718910 1.68718910 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.37437819 3.37437819 3.37437819 1 Se Se3 1 5.06156729 5.06156729 5.06156728 1 [/CIF]
AgCuHgSe
F-43m
216
cubic
-43m
9,744.956442
false
[CIF] data_GaSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01093161 _cell_length_b 5.01093161 _cell_length_c 5.01093161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbBr _chemical_formula_sum 'Ga1 Sb1 Br1' _cell_volume 88.96935212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.54326372 3.54326372 3.54326372 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.77163186 1.77163186 1.77163186 1 [/CIF]
BrGaSb
F-43m
216
cubic
-43m
5,065.212963
false
[CIF] data_Sc2TlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16823796 _cell_length_b 9.16823796 _cell_length_c 9.16823796 _cell_angle_alpha 21.30569343 _cell_angle_beta 21.30569343 _cell_angle_gamma 21.30569343 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlCu _chemical_formula_sum 'Sc2 Tl1 Cu1' _cell_volume 89.12463725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 -0.00000000 -0.00000000 20.11105319 1 Sc Sc1 1 -0.00000000 0.00000000 0.34083684 1 Sc Sc2 1 -0.00000000 -0.00000000 6.68997321 1 Tl Tl3 1 -0.00000000 0.00000000 13.16434715 1 [/CIF]
CuSc2Tl
R3m
160
trigonal
3m
6,667.170656
false
[CIF] data_ZnGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62666206 _cell_length_b 3.62666206 _cell_length_c 7.20587209 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGa2Br _chemical_formula_sum 'Zn1 Ga2 Br1' _cell_volume 94.77651313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.81333103 1.81333103 4.85914416 1 Ga Ga1 1 0.00000000 0.00000000 0.69990160 1 Ga Ga2 1 1.81333103 1.81333103 1.80481565 1 Zn Zn3 1 0.00000000 0.00000000 3.44494680 1 [/CIF]
BrGa2Zn
P4mm
99
tetragonal
4mm
4,988.6335
false
[CIF] data_KLiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66130201 _cell_length_b 2.66130201 _cell_length_c 9.55129783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiIr2 _chemical_formula_sum 'K1 Li1 Ir2' _cell_volume 67.64733803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.33065100 1.33065100 2.03458795 1 Ir Ir1 1 1.33065100 1.33065100 7.51670988 1 K K2 1 0.00000000 0.00000000 4.77564891 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2KLi
P4/mmm
123
tetragonal
4/mmm
10,566.827204
false
[CIF] data_TlPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93001203 _cell_length_b 3.93001203 _cell_length_c 6.25908967 _cell_angle_alpha 101.67976630 _cell_angle_beta 101.67976630 _cell_angle_gamma 60.06309712 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPPd2 _chemical_formula_sum 'Tl1 P1 Pd2' _cell_volume 81.45076817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 4.55058958 0.00000000 0.82193518 1 Pd Pd2 1 0.79064014 0.00000000 5.26363136 1 Tl Tl3 1 2.67061486 0.00000000 3.04278327 1 [/CIF]
PPd2Tl
C2/m
12
monoclinic
2/m
9,137.405917
false
[CIF] data_ZrNbV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84323919 _cell_length_b 2.84323919 _cell_length_c 8.94364984 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.89292570 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbV2 _chemical_formula_sum 'Zr1 Nb1 V2' _cell_volume 67.54667816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.61261718 -0.00000000 1.96789918 1 V V1 1 0.00000000 0.00000000 8.79552109 1 V V2 1 1.61261718 -0.00000000 6.97604661 1 Zr Zr3 1 0.00000000 0.00000000 4.61965773 1 [/CIF]
NbV2Zr
Cmm2
35
orthorhombic
mm2
7,031.232386
false
[CIF] data_YGa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84135272 _cell_length_b 3.84135272 _cell_length_c 5.86606459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGa2As _chemical_formula_sum 'Y1 Ga2 As1' _cell_volume 86.55959465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 4.19267276 1 Ga Ga1 1 1.92067636 1.92067636 0.18322835 1 Ga Ga2 1 0.00000000 0.00000000 1.29301256 1 Y Y3 1 1.92067636 1.92067636 3.13018328 1 [/CIF]
AsGa2Y
P4mm
99
tetragonal
4mm
5,817.927101
false
[CIF] data_SiAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60722267 _cell_length_b 4.60722267 _cell_length_c 4.60722267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg3 _chemical_formula_sum 'Si1 Ag3' _cell_volume 69.15165981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.62889920 1.62889920 1.62889920 1 Ag Ag1 1 3.25779839 3.25779839 3.25779839 1 Ag Ag2 1 4.88669759 4.88669759 4.88669759 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag3Si
Fm-3m
225
cubic
m-3m
8,445.135692
false
[CIF] data_KInAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47607947 _cell_length_b 5.47607947 _cell_length_c 5.47607947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInAgBi _chemical_formula_sum 'K1 In1 Ag1 Bi1' _cell_volume 116.11657819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.80825940 5.80825940 5.80825940 1 Bi Bi1 1 3.87217293 3.87217293 3.87217293 1 In In2 1 1.93608647 1.93608647 1.93608647 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiInK
F-43m
216
cubic
-43m
6,732.229969
false
[CIF] data_BeCoSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79891591 _cell_length_b 4.79891591 _cell_length_c 4.79891591 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoSnBi _chemical_formula_sum 'Be1 Co1 Sn1 Bi1' _cell_volume 78.14737981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 3.39334598 3.39334598 3.39334598 1 Co Co2 1 5.09001897 5.09001897 5.09001897 1 Sn Sn3 1 1.69667299 1.69667299 1.69667299 1 [/CIF]
BeBiCoSn
F-43m
216
cubic
-43m
8,406.790674
false
[CIF] data_NaCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73545000 _cell_length_b 3.73545000 _cell_length_c 3.73545000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuO3 _chemical_formula_sum 'Na1 Cu1 O3' _cell_volume 52.12292545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.86772500 1.86772500 1.86772500 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 1.86772500 1.86772500 0.00000000 1 O O3 1 1.86772500 0.00000000 1.86772500 1 O O4 1 0.00000000 1.86772500 1.86772500 1 [/CIF]
CuNaO3
Pm-3m
221
cubic
m-3m
4,286.001023
false
[CIF] data_TiSnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05444878 _cell_length_b 9.05444878 _cell_length_c 9.05444878 _cell_angle_alpha 19.19513804 _cell_angle_beta 19.19513804 _cell_angle_gamma 19.19513804 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnPt2 _chemical_formula_sum 'Ti1 Sn1 Pt2' _cell_volume 70.14340412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 -0.00000000 0.10169787 1 Pt Pt1 1 -0.00000000 -0.00000000 6.63676056 1 Sn Sn2 1 -0.00000000 -0.00000000 13.35738853 1 Ti Ti3 1 -0.00000000 0.00000000 19.88696025 1 [/CIF]
Pt2SnTi
R3m
160
trigonal
3m
13,180.096301
false
[CIF] data_BaTlAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65953954 _cell_length_b 6.47485924 _cell_length_c 4.04440568 _cell_angle_alpha 74.57351511 _cell_angle_beta 69.59309228 _cell_angle_gamma 35.83339260 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlAs _chemical_formula_sum 'Ba1 Tl1 As1' _cell_volume 95.64324976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.63927571 3.06454581 11.63666326 1 Ba Ba1 1 2.63927571 3.06454581 7.72879594 1 Tl Tl2 1 2.63927571 3.06454581 4.28466584 1 [/CIF]
AsBaTl
Fmm2
42
orthorhombic
mm2
7,233.480126
false
[CIF] data_YFe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21273088 _cell_length_b 4.21273088 _cell_length_c 4.26208754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2Te _chemical_formula_sum 'Y1 Fe2 Te1' _cell_volume 75.63970003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 2.10636544 2.13104377 1 Fe Fe1 1 2.10636544 0.00000000 2.13104377 1 Te Te2 1 2.10636544 2.10636544 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2TeY
P4/mmm
123
tetragonal
4/mmm
7,204.973449
false
[CIF] data_CdFe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08773411 _cell_length_b 5.08773411 _cell_length_c 5.08773411 _cell_angle_alpha 146.44132251 _cell_angle_beta 130.23715182 _cell_angle_gamma 61.36207191 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe2Ni _chemical_formula_sum 'Cd1 Fe2 Ni1' _cell_volume 55.02809982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.37555923 1 Fe Fe1 1 0.00000000 2.14062199 2.33022140 1 Fe Fe2 1 1.46876047 -0.00000000 2.04533783 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdFe2Ni
Immm
71
orthorhombic
mmm
8,533.660995
false
[CIF] data_MgRe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38724354 _cell_length_b 10.38724354 _cell_length_c 10.38724354 _cell_angle_alpha 15.99710500 _cell_angle_beta 15.99710500 _cell_angle_gamma 15.99710500 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe2Pb _chemical_formula_sum 'Mg1 Re2 Pb1' _cell_volume 74.19360294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 -0.00000000 -0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 15.37843046 1 Re Re2 1 -0.00000000 -0.00000000 7.91758492 1 Re Re3 1 -0.00000000 0.00000000 22.83927600 1 [/CIF]
MgPbRe2
R-3m
166
trigonal
-3m
13,516.409152
false
[CIF] data_Ir8Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13499028 _cell_length_b 6.13499028 _cell_length_c 6.13499028 _cell_angle_alpha 95.66225027 _cell_angle_beta 95.66225027 _cell_angle_gamma 143.38599773 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir8Rh _chemical_formula_sum 'Ir8 Rh1' _cell_volume 130.74886606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.75691046 -0.00000000 0.00000000 1 Ir Ir1 1 5.48014906 -0.00000000 -0.00000000 1 Ir Ir2 1 -0.00000000 2.75691046 0.00000000 1 Ir Ir3 1 2.73785090 2.73785090 -0.00000000 1 Ir Ir4 1 1.38067887 -1.38067887 1.92705239 1 Ir Ir5 1 0.00000000 5.48014906 0.00000000 1 Ir Ir6 1 -1.38067887 1.38067887 1.92705239 1 Ir Ir7 1 1.38067887 1.38067887 1.92705239 1 Rh Rh8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir8Rh
I4/mmm
139
tetragonal
4/mmm
20,836.504263
false
[CIF] data_Y4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46466658 _cell_length_b 9.46466658 _cell_length_c 9.46466658 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4As _chemical_formula_sum 'Y16 As4' _cell_volume 652.67062652 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.45644258 1.45644258 1.45644258 1 As As1 1 -4.00798522 4.00798522 4.00798522 1 As As2 1 4.00798522 -4.00798522 4.00798522 1 As As3 1 4.00798522 4.00798522 -4.00798522 1 Y Y4 1 3.01474269 3.01474269 3.01474269 1 Y Y5 1 -2.44968511 2.44968511 2.44968511 1 Y Y6 1 2.44968511 -2.44968511 2.44968511 1 Y Y7 1 2.44968511 2.44968511 -2.44968511 1 Y Y8 1 0.00000000 -0.00000000 7.60956292 1 Y Y9 1 0.00000000 -0.00000000 3.31929268 1 Y Y10 1 0.00000000 7.60956292 -0.00000000 1 Y Y11 1 0.00000000 3.31929268 -0.00000000 1 Y Y12 1 7.60956292 0.00000000 -0.00000000 1 Y Y13 1 3.31929268 0.00000000 -0.00000000 1 Y Y14 1 5.46442780 0.00000000 2.73221390 1 Y Y15 1 0.00000000 5.46442780 2.73221390 1 Y Y16 1 -0.00000000 2.73221390 5.46442780 1 Y Y17 1 5.46442780 2.73221390 0.00000000 1 Y Y18 1 2.73221390 5.46442780 0.00000000 1 Y Y19 1 2.73221390 0.00000000 5.46442780 1 [/CIF]
As4Y16
I-43m
217
cubic
-43m
4,381.608507
false
[CIF] data_CaLaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09220266 _cell_length_b 7.09220266 _cell_length_c 7.09220266 _cell_angle_alpha 35.32523516 _cell_angle_beta 35.32523516 _cell_angle_gamma 35.32523516 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaP2 _chemical_formula_sum 'Ca1 La1 P2' _cell_volume 106.55183525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 -0.00000000 0.00000000 9.96403868 1 P P2 1 0.00000000 -0.00000000 14.96110107 1 P P3 1 0.00000000 0.00000000 4.96697630 1 [/CIF]
CaLaP2
R-3m
166
trigonal
-3m
3,762.573503
false
[CIF] data_Hf2TiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15697542 _cell_length_b 9.15697542 _cell_length_c 9.15697542 _cell_angle_alpha 19.94858459 _cell_angle_beta 19.94858459 _cell_angle_gamma 19.94858459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiMo _chemical_formula_sum 'Hf2 Ti1 Mo1' _cell_volume 78.18250673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 6.56652561 1 Hf Hf1 1 -0.00000000 0.00000000 20.34936740 1 Mo Mo2 1 -0.00000000 -0.00000000 13.45794650 1 Ti Ti3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Hf2MoTi
R-3m
166
trigonal
-3m
10,636.773127
false
[CIF] data_MgCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19672851 _cell_length_b 4.19672851 _cell_length_c 4.19672851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuGe _chemical_formula_sum 'Mg1 Cu1 Ge1' _cell_volume 52.26580318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 4.45130279 4.45130279 4.45130279 1 Ge Ge1 1 2.96753519 2.96753519 2.96753519 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuGeMg
F-43m
216
cubic
-43m
5,098.966421
false
[CIF] data_LaHf2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43576414 _cell_length_b 4.43576414 _cell_length_c 4.47392983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2Os _chemical_formula_sum 'La1 Hf2 Os1' _cell_volume 88.02905902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.21788207 0.00000000 2.23696492 1 Hf Hf1 1 0.00000000 2.21788207 2.23696492 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.21788207 2.21788207 0.00000000 1 [/CIF]
Hf2LaOs
P4/mmm
123
tetragonal
4/mmm
12,942.561863
false
[CIF] data_MgCu2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40430465 _cell_length_b 5.40430465 _cell_length_c 2.78191615 _cell_angle_alpha 104.48559956 _cell_angle_beta 104.48559956 _cell_angle_gamma 118.98407435 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCu2As _chemical_formula_sum 'Mg1 Cu2 As1' _cell_volume 61.84733689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.74353906 0.00000000 0.00000000 1 Cu Cu1 1 0.68640744 -2.32806261 1.21038968 1 Cu Cu2 1 0.68640744 2.32806262 1.21038968 1 Mg Mg3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCu2Mg
C2/m
12
monoclinic
2/m
6,076.427792
false
[CIF] data_InPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15345768 _cell_length_b 3.15345768 _cell_length_c 6.57353460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPPd2 _chemical_formula_sum 'In1 P1 Pd2' _cell_volume 65.36916949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 3.28676730 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.57672884 1.57672884 1.42836997 1 Pd Pd3 1 1.57672884 1.57672884 5.14516463 1 [/CIF]
InPPd2
P4/mmm
123
tetragonal
4/mmm
9,110.136414
false
[CIF] data_LaSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99734759 _cell_length_b 5.99734759 _cell_length_c 5.99734759 _cell_angle_alpha 108.06532796 _cell_angle_beta 108.06532796 _cell_angle_gamma 112.32114902 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2 _chemical_formula_sum 'La2 Sc4' _cell_volume 165.74665262 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 1.66986334 1 La La1 1 0.00000000 0.00000000 5.00959003 1 Sc Sc2 1 2.44447126 1.07791456 -0.00000000 1 Sc Sc3 1 2.44447126 -1.07791456 3.33972669 1 Sc Sc4 1 1.07791456 4.60030038 0.00000000 1 Sc Sc5 1 1.07791456 2.44447126 3.33972668 1 [/CIF]
La2Sc4
I4/mcm
140
tetragonal
4/mmm
4,584.829314
false
[CIF] data_FePt2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90154731 _cell_length_b 2.90154731 _cell_length_c 8.79853908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.74515819 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePt2Br _chemical_formula_sum 'Fe1 Pt2 Br1' _cell_volume 74.04033821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.02022089 0.00000000 3.72149986 1 Fe Fe1 1 0.00000000 0.00000000 2.01557866 1 Pt Pt2 1 2.02022089 0.00000000 0.29845542 1 Pt Pt3 1 0.00000000 0.00000000 7.16227468 1 [/CIF]
BrFePt2
Cmm2
35
orthorhombic
mm2
11,794.999124
false
[CIF] data_NbCdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94618293 _cell_length_b 5.94618293 _cell_length_c 5.94618293 _cell_angle_alpha 149.57606498 _cell_angle_beta 149.57606498 _cell_angle_gamma 43.56405133 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdOs _chemical_formula_sum 'Nb1 Cd1 Os1' _cell_volume 53.76523395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.07223132 1 Nb Nb1 1 0.00000000 -0.00000000 3.44362188 1 Os Os2 1 0.00000000 -0.00000000 7.52742490 1 [/CIF]
CdNbOs
I4mm
107
tetragonal
4mm
12,216.479477
false
[CIF] data_GaSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60987590 _cell_length_b 4.60987590 _cell_length_c 4.60987590 _cell_angle_alpha 138.22675825 _cell_angle_beta 138.22675825 _cell_angle_gamma 60.55588479 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSiRh _chemical_formula_sum 'Ga1 Si1 Rh1' _cell_volume 43.01328103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 0.00000000 0.01335289 1 Rh Rh1 1 0.00000000 0.00000000 5.38552315 1 Si Si2 1 0.00000000 0.00000000 2.56320682 1 [/CIF]
GaRhSi
I4mm
107
tetragonal
4mm
7,750.342053
false
[CIF] data_SrNiBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97791112 _cell_length_b 4.97791112 _cell_length_c 4.97791112 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNiBiMo _chemical_formula_sum 'Sr1 Ni1 Bi1 Mo1' _cell_volume 87.22207549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.51991471 3.51991471 3.51991471 1 Mo Mo1 1 1.75995735 1.75995736 1.75995736 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.27987207 5.27987207 5.27987206 1 [/CIF]
BiMoNiSr
F-43m
216
cubic
-43m
8,590.996713
false
[CIF] data_LaMg2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15179378 _cell_length_b 5.15179378 _cell_length_c 5.15179378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMg2Mn _chemical_formula_sum 'La1 Mg2 Mn1' _cell_volume 96.68529229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.82143416 1.82143416 1.82143416 1 Mg Mg1 1 5.46430248 5.46430248 5.46430248 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.64286832 3.64286832 3.64286832 1 [/CIF]
LaMg2Mn
F-43m
216
cubic
-43m
4,164.061813
false
[CIF] data_Na3LaC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50079081 _cell_length_b 6.50079081 _cell_length_c 6.50079081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3LaC _chemical_formula_sum 'Na3 La1 C1' _cell_volume 274.72524736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 3.25039541 0.00000000 3.25039541 1 Na Na1 1 3.25039541 3.25039541 0.00000000 1 Na Na2 1 0.00000000 3.25039541 3.25039541 1 C C3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 3.25039541 3.25039541 3.25039541 1 [/CIF]
CLaNa3
Pm-3m
221
cubic
m-3m
1,329.067603
false
[CIF] data_CuAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11655996 _cell_length_b 3.56860572 _cell_length_c 5.84376556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAs2Pt _chemical_formula_sum 'Cu1 As2 Pt1' _cell_volume 64.99303811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.55827998 1.78430286 4.38153638 1 As As1 1 1.55827998 1.78430286 1.46222918 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 2.92188278 1 [/CIF]
As2CuPt
Pmmm
47
orthorhombic
mmm
10,436.2825
false
[CIF] data_LaHfZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05591295 _cell_length_b 5.05591295 _cell_length_c 5.05591295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfZrCu _chemical_formula_sum 'La1 Hf1 Zr1 Cu1' _cell_volume 91.38686202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 3.57507033 3.57507033 3.57507033 1 La La2 1 1.78753517 1.78753516 1.78753516 1 Zr Zr3 1 5.36260550 5.36260550 5.36260550 1 [/CIF]
CuHfLaZr
F-43m
216
cubic
-43m
8,579.452139
false
[CIF] data_La2ScNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67166994 _cell_length_b 3.67166994 _cell_length_c 7.88346302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ScNi _chemical_formula_sum 'La2 Sc1 Ni1' _cell_volume 106.27822746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.83583497 1.83583497 2.29052954 1 La La1 1 1.83583497 1.83583497 5.59293348 1 Ni Ni2 1 0.00000000 0.00000000 3.94173151 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2NiSc
P4/mmm
123
tetragonal
4/mmm
5,960.166337
false
[CIF] data_BaTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10498700 _cell_length_b 4.10498700 _cell_length_c 4.10498700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaO3 _chemical_formula_sum 'Ba1 Ta1 O3' _cell_volume 69.17280044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 2.05249350 0.00000000 2.05249350 1 O O2 1 0.00000000 2.05249350 2.05249350 1 O O3 1 2.05249350 2.05249350 0.00000000 1 Ta Ta4 1 2.05249350 2.05249350 2.05249350 1 [/CIF]
BaO3Ta
Pm-3m
221
cubic
m-3m
8,792.628816
false
[CIF] data_HfCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42554421 _cell_length_b 5.42554421 _cell_length_c 5.42554421 _cell_angle_alpha 148.80272939 _cell_angle_beta 148.80272939 _cell_angle_gamma 44.70175952 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoSi _chemical_formula_sum 'Hf1 Co1 Si1' _cell_volume 42.72118115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 -0.00000000 0.24877783 1 Hf Hf1 1 0.00000000 -0.00000000 3.36852962 1 Si Si2 1 0.00000000 0.00000000 6.41856463 1 [/CIF]
CoHfSi
I4mm
107
tetragonal
4mm
10,320.888475
false
[CIF] data_Ga2TeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11747073 _cell_length_b 3.11747073 _cell_length_c 8.11115683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.88628657 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2TeIr _chemical_formula_sum 'Ga2 Te1 Ir1' _cell_volume 78.78656588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 2.16780141 0.00000000 7.67956364 1 Ga Ga1 1 0.00000000 0.00000000 5.80453103 1 Ir Ir2 1 2.16780141 0.00000000 4.37934181 1 Te Te3 1 0.00000000 0.00000000 2.41445560 1 [/CIF]
Ga2IrTe
Cmm2
35
orthorhombic
mm2
9,679.621708
false
[CIF] data_LiMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10808433 _cell_length_b 5.10808433 _cell_length_c 5.10808433 _cell_angle_alpha 145.05990131 _cell_angle_beta 128.57014201 _cell_angle_gamma 63.69026514 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMo2Os _chemical_formula_sum 'Li1 Mo2 Os1' _cell_volume 58.99165629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 -0.00000000 6.47611597 1 Mo Mo1 1 1.53348377 -0.00000000 0.10092541 1 Mo Mo2 1 -0.00000000 0.00000000 2.16703396 1 Os Os3 1 1.53348377 0.00000000 4.27353024 1 [/CIF]
LiMo2Os
Imm2
44
orthorhombic
mm2
10,952.409995
false
[CIF] data_HfCoSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52499675 _cell_length_b 4.52499675 _cell_length_c 4.52499675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoSnOs _chemical_formula_sum 'Hf1 Co1 Sn1 Os1' _cell_volume 65.51486016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.79948384 4.79948384 4.79948384 1 Os Os2 1 3.19965589 3.19965589 3.19965589 1 Sn Sn3 1 1.59982795 1.59982795 1.59982795 1 [/CIF]
CoHfOsSn
F-43m
216
cubic
-43m
13,848.116713
false
[CIF] data_TaTlOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24139795 _cell_length_b 3.24139795 _cell_length_c 6.58041800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlOs2 _chemical_formula_sum 'Ta1 Tl1 Os2' _cell_volume 69.13821899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.62069898 1.62069898 5.09428896 1 Os Os1 1 1.62069898 1.62069898 1.48612904 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.29020900 1 [/CIF]
Os2TaTl
P4/mmm
123
tetragonal
4/mmm
18,392.521383
false
[CIF] data_La2BCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00099663 _cell_length_b 5.00099663 _cell_length_c 5.00099663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BCl _chemical_formula_sum 'La2 B1 Cl1' _cell_volume 88.44121249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 3.53623863 3.53623863 3.53623863 1 La La2 1 5.30435795 5.30435795 5.30435795 1 La La3 1 1.76811932 1.76811932 1.76811932 1 [/CIF]
BClLa2
Fm-3m
225
cubic
m-3m
6,084.709642
false
[CIF] data_TcTeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87808526 _cell_length_b 4.87808526 _cell_length_c 4.87808526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTeCl2 _chemical_formula_sum 'Tc1 Te1 Cl2' _cell_volume 82.07920906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 5.17399075 5.17399075 5.17399075 1 Tc Tc2 1 3.44932717 3.44932717 3.44932717 1 Te Te3 1 1.72466358 1.72466358 1.72466358 1 [/CIF]
Cl2TcTe
F-43m
216
cubic
-43m
6,017.094443
false
[CIF] data_NaLiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65881679 _cell_length_b 3.65881679 _cell_length_c 7.67780385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiPb2 _chemical_formula_sum 'Na1 Li1 Pb2' _cell_volume 102.78230180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 0.00000000 0.00000000 3.83890193 1 Pb Pb2 1 1.82940840 1.82940840 6.02260147 1 Pb Pb3 1 1.82940840 1.82940840 1.65520238 1 [/CIF]
LiNaPb2
P4/mmm
123
tetragonal
4/mmm
7,178.556891
false
[CIF] data_RbZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84084312 _cell_length_b 4.84084312 _cell_length_c 4.84084312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbZrFe2 _chemical_formula_sum 'Rb1 Zr1 Fe2' _cell_volume 80.21360382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 5.13448950 5.13448950 5.13448950 1 Fe Fe1 1 1.71149650 1.71149650 1.71149650 1 Rb Rb2 1 -0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.42299300 3.42299300 3.42299300 1 [/CIF]
Fe2RbZr
Fm-3m
225
cubic
m-3m
5,969.925576
false
[CIF] data_ZnCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09142326 _cell_length_b 5.09142326 _cell_length_c 5.09142326 _cell_angle_alpha 136.56461971 _cell_angle_beta 132.71272257 _cell_angle_gamma 66.14188718 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2Sb _chemical_formula_sum 'Zn1 Cu2 Sb1' _cell_volume 65.65315463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.88399773 0.00000000 0.11672827 1 Cu Cu1 1 -0.00000000 0.00000000 1.94173204 1 Sb Sb2 1 -0.00000000 2.04189928 0.01120936 1 Zn Zn3 1 -0.00000000 -0.00000000 6.46351034 1 [/CIF]
Cu2SbZn
Imm2
44
orthorhombic
mm2
7,947.744704
false
[CIF] data_MnSnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75630758 _cell_length_b 5.75630758 _cell_length_c 5.75630758 _cell_angle_alpha 56.75104910 _cell_angle_beta 56.75104910 _cell_angle_gamma 56.75104910 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSnF6 _chemical_formula_sum 'Mn1 Sn1 F6' _cell_volume 124.75458416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 -0.00000000 -0.00000000 7.21818219 1 F F2 1 1.61765444 -0.24999112 8.37688329 1 F F3 1 -1.02532588 -1.27593428 8.37688329 1 F F4 1 0.59232856 -1.52592540 6.05948109 1 F F5 1 1.02532588 1.27593428 6.05948109 1 F F6 1 -1.61765444 0.24999112 6.05948109 1 F F7 1 -0.59232856 1.52592540 8.37688329 1 [/CIF]
F6MnSn
R-3
148
trigonal
-3
3,828.596073
false
[CIF] data_KBaScRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36674934 _cell_length_b 5.36674934 _cell_length_c 5.36674934 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaScRu _chemical_formula_sum 'K1 Ba1 Sc1 Ru1' _cell_volume 109.29969156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.89743243 1.89743243 1.89743242 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 5.69229728 5.69229728 5.69229728 1 Sc Sc3 1 3.79486485 3.79486485 3.79486485 1 [/CIF]
BaKRuSc
F-43m
216
cubic
-43m
4,898.850371
false
[CIF] data_CrGaPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30082181 _cell_length_b 4.30082181 _cell_length_c 4.30082181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaPtRh _chemical_formula_sum 'Cr1 Ga1 Rh1 Pt1' _cell_volume 56.25217918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.04114027 3.04114027 3.04114027 1 Pt Pt2 1 1.52057013 1.52057013 1.52057013 1 Ga Ga3 1 4.56171040 4.56171040 4.56171040 1 [/CIF]
CrGaPtRh
F-43m
216
cubic
-43m
12,389.609382
false
[CIF] data_AlTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29967503 _cell_length_b 3.29967503 _cell_length_c 8.88703514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTeAs2 _chemical_formula_sum 'Al1 Te1 As2' _cell_volume 96.76075268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 As As1 1 1.64983751 1.64983751 1.31210213 1 As As2 1 1.64983751 1.64983751 7.57493301 1 Te Te3 1 0.00000000 0.00000000 4.44351757 1 [/CIF]
AlAs2Te
P4/mmm
123
tetragonal
4/mmm
5,224.32037
false
[CIF] data_V2TcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37284388 _cell_length_b 4.25872278 _cell_length_c 4.29271628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcSn _chemical_formula_sum 'V2 Tc1 Sn1' _cell_volume 61.66060697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 2.12936139 2.14635814 1 Tc Tc1 1 1.68642194 0.00000000 2.14635814 1 V V2 1 1.68642194 2.12936139 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SnTcV2
Pmmm
47
orthorhombic
mmm
8,604.211495
false
[CIF] data_PuPb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24261271 _cell_length_b 5.24261271 _cell_length_c 5.24261271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuPb2Au _chemical_formula_sum 'Pu1 Pb2 Au1' _cell_volume 101.88924190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.56063050 5.56063050 5.56063050 1 Pb Pb2 1 1.85354350 1.85354350 1.85354350 1 Pu Pu3 1 3.70708700 3.70708700 3.70708700 1 [/CIF]
AuPb2Pu
Fm-3m
225
cubic
m-3m
13,940.329495
false
[CIF] data_ScNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82161067 _cell_length_b 4.82161067 _cell_length_c 4.82161067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiSn2 _chemical_formula_sum 'Sc1 Ni1 Sn2' _cell_volume 79.26134184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 3.40939360 3.40939360 3.40939360 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.70469680 1.70469680 1.70469680 1 Sn Sn3 1 5.11409040 5.11409040 5.11409040 1 [/CIF]
NiScSn2
Fm-3m
225
cubic
m-3m
7,145.462136
false
[CIF] data_SnPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42946743 _cell_length_b 3.42946743 _cell_length_c 5.73475509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPd2Pt _chemical_formula_sum 'Sn1 Pd2 Pt1' _cell_volume 67.44787026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.71473371 1.71473371 5.72687548 1 Pd Pd1 1 0.00000000 0.00000000 1.43159180 1 Pt Pt2 1 1.71473371 1.71473371 2.88175452 1 Sn Sn3 1 0.00000000 0.00000000 4.29666593 1 [/CIF]
Pd2PtSn
P4mm
99
tetragonal
4mm
12,965.514366
false
[CIF] data_CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08270428 _cell_length_b 5.08270428 _cell_length_c 7.47346555 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSn _chemical_formula_sum 'Cu4 Sn4' _cell_volume 167.20234105 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.54135214 1.46725034 0.67463175 1 Cu Cu1 1 0.00000000 2.93450069 4.41136453 1 Cu Cu2 1 -0.00000000 2.93450069 6.79883380 1 Cu Cu3 1 2.54135214 1.46725034 3.06210102 1 Sn Sn4 1 0.00000000 0.00000000 1.86836639 1 Sn Sn5 1 0.00000000 0.00000000 5.60509916 1 Sn Sn6 1 2.54135214 1.46725034 5.60509916 1 Sn Sn7 1 -0.00000000 2.93450069 1.86836639 1 [/CIF]
Cu4Sn4
P6_3/mmc
194
hexagonal
6/mmm
7,240.166762
false
[CIF] data_AlGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.88390137 _cell_length_b 9.88390137 _cell_length_c 9.88390137 _cell_angle_alpha 17.18426244 _cell_angle_beta 17.18426244 _cell_angle_gamma 17.18426244 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Ge _chemical_formula_sum 'Al1 Ga2 Ge1' _cell_volume 73.53835860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 0.00000000 21.87481080 1 Ga Ga1 1 0.00000000 0.00000000 0.07174298 1 Ga Ga2 1 0.00000000 -0.00000000 7.34989017 1 Ge Ge3 1 0.00000000 0.00000000 14.51428076 1 [/CIF]
AlGa2Ge
R3m
160
trigonal
3m
5,398.284586
false